2-butylsulfonylethanoic acid; 5,6-diphenyl-N-propan-2-yl-pyrazin-2-amine

Systemtic Name: 2-butylsulfonylethanoic acid; 5,6-diphenyl-N-propan-2-yl-pyrazin-2-amine Openeye Name: 2-butylsulfonylacetic acid; N-isopropyl-5,6-diphenyl-pyrazin-2-amine CAS Name: 2-butylsulfonylacetic acid; 5,6-diphenyl-N-propan-2-yl-2-pyrazinamine IUPAC Name: 2-butylsulfonylacetic acid; 5,6-diphenyl-N-propan-2-ylpyrazin-2-amine Traditional Name: 2-butylsulfonylacetic acid; (5,6-diphenylpyrazin-2-yl)-isopropyl-amine Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(=O)O.CC(C)NC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)CC(=O)O.CC(C)NC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3.C6H12O4S/c1-14(2)21-17-13-20-18(15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16;1-2-3-4-11(9,10)5-6(7)8/h3-14H,1-2H3,(H,21,22);2-5H2,1H3,(H,7,8)